Sir, what computer configuration do we need to run a doped/defect/composite system to report in publications?
@dr.shahidramay67283 жыл бұрын
Thanks Dr. Rashid
@phy223 жыл бұрын
Welcome!
@thesoulhealer36832 жыл бұрын
Thank you so much sir
@moulayyoussefraia56002 жыл бұрын
Thank you sir. could you make video how to create surface structure (multi layers) and its optimization
@rachidbaghdad78142 жыл бұрын
Please...we must do optimisation on the supercell alternative we building it.
@786.usmansaeed Жыл бұрын
sir how to give shotcut name to a big commond of Charge and energy convergence like we use cc] in place of [grep ":DIS" a01.scf] in our lab computers
@preetikumari189893 жыл бұрын
Do you know how to change spin using supercell to make the compound workable for AFM
@phy223 жыл бұрын
No but you can generate structure choosing a particular plane for AFM calculation. For example NiO(111) is AFM while NiO is not.
@ziadrashed97293 жыл бұрын
Thank you sir. Could you show me how we can doping with percentage. For example as you show for znse .how we can make doping Fe with 25% or 50%..thank you so much
@phy223 жыл бұрын
Welcome! In the first case 12.5 % Fe is doped replacing 1 of 8 Ze atoms from ZeSe by Fe. In the second the doping is 25%.
@DrMandeepKumarHooda3 жыл бұрын
How you will intercalate
@phy223 жыл бұрын
What is that?
@DrMandeepKumarHooda3 жыл бұрын
@@phy22 When some element is added or doped between the layer of some alloy rather than doping at particular site of element of that alloy. Then it is intercalation. For example in PdTe2, if you intercalate Cu (5%), it will sit between Te layers (along c - axis), here it is not doping, rather it is intercalation